3-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-5-(2-chloro-4-fluorophenyl)-5-methylimidazolidine-2,4-dione

C20H16ClFN4O3 — CID 56517084

IUPAC3-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-5-(2-chloro-4-fluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(F)cc2Cl)NC(=O)N(Cc2nnc(Cc3ccccc3)o2)C1=O
InChIInChI=1S/C20H16ClFN4O3/c1-20(14-8-7-13(22)10-15(14)21)18(27)26(19(28)23-20)11-17-25-24-16(29-17)9-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3,(H,23,28)
InChIKeyKVEVDSPLGBAARD-UHFFFAOYSA-N
MW414.82 g/mol
LogP3.42
Rot. Bonds5

About 3-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-5-(2-chloro-4-fluorophenyl)-5-methylimidazolidine-2,4-dione

3-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-5-(2-chloro-4-fluorophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 56517084) has the molecular formula C20H16ClFN4O3 and a molecular weight of 414.82 g/mol. Its IUPAC name is 3-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-5-(2-chloro-4-fluorophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-5-(2-chloro-4-fluorophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID56517084
Molecular FormulaC20H16ClFN4O3
Molecular Weight414.82 g/mol
Exact Mass414.09
IUPAC Name3-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-5-(2-chloro-4-fluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(F)cc2Cl)NC(=O)N(Cc2nnc(Cc3ccccc3)o2)C1=O
InChIInChI=1S/C20H16ClFN4O3/c1-20(14-8-7-13(22)10-15(14)21)18(27)26(19(28)23-20)11-17-25-24-16(29-17)9-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3,(H,23,28)
InChIKeyKVEVDSPLGBAARD-UHFFFAOYSA-N
XLogP3.42
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.82
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

5-(2-chloro-4-fluorophenyl)-3-[(4-chlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 56518049
5-(2-chloro-4-fluorophenyl)-3-[(2-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 56520242
5-(2-chloro-4-fluorophenyl)-5-methyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 56518839
(5S)-5-(2-chlorophenyl)-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7180510
5-(2-chloro-4-fluorophenyl)-5-methyl-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione
CID 56520117
5-(2-chloro-4-fluorophenyl)-5-methyl-3-[(7-methyl-2-oxochromen-4-yl)methyl]imidazolidine-2,4-dione
CID 56517853
5-(2-chloro-4-fluorophenyl)-3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 56519095
phenyl 2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]ethanesulfonate
CID 56519738
(5S)-5-(2-chloro-4-fluorophenyl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 99115182
5-(2,4-dichlorophenyl)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 43030300
3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-5-(2,4-dichlorophenyl)-5-methylimidazolidine-2,4-dione
CID 42966453
(5S)-5-(2,5-difluorophenyl)-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7801183

Frequently Asked Questions

What is the IUPAC name of 3-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-5-(2-chloro-4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-5-(2-chloro-4-fluorophenyl)-5-methylimidazolidine-2,4-dione (CID 56517084) is 3-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-5-(2-chloro-4-fluorophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-5-(2-chloro-4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-5-(2-chloro-4-fluorophenyl)-5-methylimidazolidine-2,4-dione is CC1(c2ccc(F)cc2Cl)NC(=O)N(Cc2nnc(Cc3ccccc3)o2)C1=O.
What is the InChIKey of 3-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-5-(2-chloro-4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is KVEVDSPLGBAARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4O3/c1-20(14-8-7-13(22)10-15(14)21)18(27)26(19(28)23-20)11-17-25-24-16(29-17)9-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3,(H,23,28).
What are the key properties of 3-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-5-(2-chloro-4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
3-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-5-(2-chloro-4-fluorophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 414.82 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-5-(2-chloro-4-fluorophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 56517084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).